2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol

C10H13BrFNO — CID 84806983

IUPAC2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol
SMILESCc1cc(Br)c(O)c(CCCN)c1F
InChIInChI=1S/C10H13BrFNO/c1-6-5-8(11)10(14)7(9(6)12)3-2-4-13/h5,14H,2-4,13H2,1H3
InChIKeyXZDBDXQUASYWOO-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.49
Rot. Bonds3

About 2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol

2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol (PubChem CID 84806983) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol.

Molecular Properties

Compound Name2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol
PubChem CID84806983
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol
SMILESCc1cc(Br)c(O)c(CCCN)c1F
InChIInChI=1S/C10H13BrFNO/c1-6-5-8(11)10(14)7(9(6)12)3-2-4-13/h5,14H,2-4,13H2,1H3
InChIKeyXZDBDXQUASYWOO-UHFFFAOYSA-N
XLogP2.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminopropyl)-6-bromo-3,4-difluorophenol
CID 83902395
3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol
CID 117398513
2-(3-aminopropyl)-6-bromo-3-fluorophenol
CID 83900259
3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
CID 84803102
6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol
CID 117420933
4-(3-aminopropyl)-6-bromo-2,3-difluorophenol
CID 117419034
5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol
CID 117409500
2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol
CID 117380280
3-(2-aminoethyl)-5-bromo-4-fluorobenzene-1,2-diol
CID 117378174
2-(2-aminoethyl)-4-bromo-3,6-difluorophenol
CID 117383018
2-(3-aminopropyl)-4-fluoro-3,6-dimethylphenol
CID 84774420
2-(aminomethyl)-6-bromo-4-fluoro-3-methylphenol
CID 84697319

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol?
The IUPAC name of 2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol (CID 84806983) is 2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol.
What is the SMILES notation for 2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol?
The canonical SMILES for 2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol is Cc1cc(Br)c(O)c(CCCN)c1F.
What is the InChIKey of 2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol?
The InChIKey is XZDBDXQUASYWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-6-5-8(11)10(14)7(9(6)12)3-2-4-13/h5,14H,2-4,13H2,1H3.
What are the key properties of 2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol?
2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol has a molecular weight of 262.12 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol is sourced from PubChem (CID 84806983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).